Abstract
B3LYP/6-311+G(d) calculations indicate that (HBO) 3 ( 4) and (HBO) 4 ( 5) possess (zero-point energy corrected) strain enthalpies of 11.4 and 31.6 kJ mol −1, respectively. The absence of eight-membered (RBO) 4 rings is attributed to a combination of ring strain and the lability of the BO bond. The synthesis, characterization and molecular structure of (PhBO) 3·pyridine ( 1) are described and chemical phenomena related to the addition of amines to triorganoboroxine rings are rationalized in terms of relief of ring strain in 4.
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